Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1,3,7,8-Tetrachlorodibenzo-4-dioxin
RN: 50585-46-1
UNII: 85WEE3RG9K
InChIKey: VPTDIAYLYJBYQG-UHFFFAOYSA-N

Note

  • Weak inhibitor of insulin-like growth factor-I.

Classification Code

  • Tumor Data

Molecular Formula

  • C12-H4-Cl4-O2

Molecular Weight

  • 321.9736
 
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • 1,3,7,8-Tetrachlorodibenzo-4-dioxin

Synonyms

  • 1,3,7,8-Tetrachlorodibenzo-p-dioxin
  • 1,3,7,8-Tetrachlorodibenzo-para-dioxin
  • 1,3,7,8-Tetrachlorodibenzodioxin
  • 5-19-02-00041 (Beilstein Handbook Reference)
  • BRN 1320995
  • Dibenzo(b,e)(1,4)dioxin, 1,3,7,8-tetrachloro-
  • UNII-85WEE3RG9K

Systematic Names

  • Dibenzo(b,e)(1,4)dioxin, 1,3,7,8-tetrachloro-
  • Dibenzo-p-dioxin, 1,3,7,8-tetrachloro-

Registry Numbers

CAS Registry Number

  • 50585-46-1

FDA UNII

  • 85WEE3RG9K

System Generated Number

  • 0050585461

Structure Descriptors

InChI

1S/C12H4Cl4O2/c13-5-1-8(16)12-11(2-5)17-9-3-6(14)7(15)4-10(9)18-12/h1-4H

InChIKey

VPTDIAYLYJBYQG-UHFFFAOYSA-N

Smiles

c1c(cc(c2c1Oc3cc(c(cc3O2)Cl)Cl)Cl)Cl

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 194 deg C   EXP
log P (octanol-water) 7.1 (none)   EXP
Water Solubility 6.12E-04 mg/L 25 EST
Henry's Law Constant 3.53E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.28E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.